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SCHEMBL10116358

SCHEMBL10116358

CC1CC1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.50
▸ PANK3 Q9H999 1/20 0.49
▸ TRPV1 Q8NER1 2/20 0.42
▸ MLYCD O95822 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10114516 0.83 KMT2A (0.50) HTTPANK3SMN1; SMN2BRD4CA12
SCHEMBL10116359 0.81 NPC1 (0.55) SMN1; SMN2BRD4CA12CA9MEN1
SCHEMBL10114519 0.80 KMT2A (0.60) ALDH1A1SMN1; SMN2CA12CA1CA9
SCHEMBL10116379 0.79 HTT (0.45) HTTPANK3TRPV1MLYCDALDH1A1
SCHEMBL10114525 0.79 HTT (0.46) HTTPANK3MLYCDALDH1A1SMN1; SMN2
SCHEMBL10116240 0.77 MEN1 (0.55) HTTTRPV1ALDH1A1SMN1; SMN2HDAC3
SCHEMBL10116374 0.76 KMT2A (0.55) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL10116344 0.75 KMT2A (0.60) HDAC3HDAC11HDAC8HDAC6CA12
SCHEMBL10116447 0.75 HDAC3 (0.47) HDAC3HDAC11HDAC8HDAC6CA1
SCHEMBL10116372 0.75 HPGD (0.45) HTTALDH1A1SMN1; SMN2HDAC3HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R HTT 2081/4885PANK3 4424/4885TRPV1 774/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTT 1904/4885PANK3 4296/4885TRPV1 534/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTT 2095/4885PANK3 4362/4885TRPV1 795/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.